2-N-(2,3-dichloro-1H-indol-5-yl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]-6-N,6-N-dipropylpyridine-2,6-diamine

C26H36Cl2N6O — CID 71166483

IUPAC2-N-(2,3-dichloro-1H-indol-5-yl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]-6-N,6-N-dipropylpyridine-2,6-diamine
SMILESCCCN(CCC)c1cc(OCCN2CCN(C)CC2)cc(Nc2ccc3[nH]c(Cl)c(Cl)c3c2)n1
InChIInChI=1S/C26H36Cl2N6O/c1-4-8-34(9-5-2)24-18-20(35-15-14-33-12-10-32(3)11-13-33)17-23(31-24)29-19-6-7-22-21(16-19)25(27)26(28)30-22/h6-7,16-18,30H,4-5,8-15H2,1-3H3,(H,29,31)
InChIKeyOWBOECPUDFYORN-UHFFFAOYSA-N
MW519.52 g/mol
LogP5.87
Rot. Bonds11

About 2-N-(2,3-dichloro-1H-indol-5-yl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]-6-N,6-N-dipropylpyridine-2,6-diamine

2-N-(2,3-dichloro-1H-indol-5-yl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]-6-N,6-N-dipropylpyridine-2,6-diamine (PubChem CID 71166483) has the molecular formula C26H36Cl2N6O and a molecular weight of 519.52 g/mol. Its IUPAC name is 2-N-(2,3-dichloro-1H-indol-5-yl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]-6-N,6-N-dipropylpyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2,3-dichloro-1H-indol-5-yl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]-6-N,6-N-dipropylpyridine-2,6-diamine
PubChem CID71166483
Molecular FormulaC26H36Cl2N6O
Molecular Weight519.52 g/mol
Exact Mass518.23
IUPAC Name2-N-(2,3-dichloro-1H-indol-5-yl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]-6-N,6-N-dipropylpyridine-2,6-diamine
SMILESCCCN(CCC)c1cc(OCCN2CCN(C)CC2)cc(Nc2ccc3[nH]c(Cl)c(Cl)c3c2)n1
InChIInChI=1S/C26H36Cl2N6O/c1-4-8-34(9-5-2)24-18-20(35-15-14-33-12-10-32(3)11-13-33)17-23(31-24)29-19-6-7-22-21(16-19)25(27)26(28)30-22/h6-7,16-18,30H,4-5,8-15H2,1-3H3,(H,29,31)
InChIKeyOWBOECPUDFYORN-UHFFFAOYSA-N
XLogP5.87
TPSA59.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.52
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(2,3-dichloro-1H-indol-5-yl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]-6-N,6-N-dipropylpyridine-2,6-diamine with MolForge

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Related Compounds

2-N-[4-amino-3-[(E)-but-2-en-2-yl]phenyl]-4-(2-morpholin-4-ylethoxy)-6-N,6-N-dipropylpyridine-2,6-diamine;ethane
CID 143450441
6-N-(3-chloro-4-fluorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112876661
6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pentyl-9H-pyrido[2,3-b]indole
CID 68641087
6-[1-(4-amino-3-phenylphenyl)ethyl]-4-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-2-amine
CID 143450181
6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indole
CID 90742823
4-N-(2,3-dimethyl-1H-indol-5-yl)-6-(2-morpholin-4-ylethoxy)-2-N-[(Z)-prop-1-enyl]pyrimidine-2,4-diamine
CID 71193496
2,3-dimethyl-N-[2-(2-morpholin-4-ylethoxy)-6-prop-1-en-2-ylpyrimidin-4-yl]-1H-indol-5-amine
CID 89163595
6-N-(4-ethylphenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112876654
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propoxyaniline
CID 82888943
N-ethyl-1-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine
CID 82888041
4-N-(2-methyl-1H-indol-5-yl)-2-N-[3-(2-piperazin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
CID 145496884
(5E)-5-[[6-(dipropylamino)-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol
CID 143341512

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dichloro-1H-indol-5-yl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]-6-N,6-N-dipropylpyridine-2,6-diamine?
The IUPAC name of 2-N-(2,3-dichloro-1H-indol-5-yl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]-6-N,6-N-dipropylpyridine-2,6-diamine (CID 71166483) is 2-N-(2,3-dichloro-1H-indol-5-yl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]-6-N,6-N-dipropylpyridine-2,6-diamine.
What is the SMILES notation for 2-N-(2,3-dichloro-1H-indol-5-yl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]-6-N,6-N-dipropylpyridine-2,6-diamine?
The canonical SMILES for 2-N-(2,3-dichloro-1H-indol-5-yl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]-6-N,6-N-dipropylpyridine-2,6-diamine is CCCN(CCC)c1cc(OCCN2CCN(C)CC2)cc(Nc2ccc3[nH]c(Cl)c(Cl)c3c2)n1.
What is the InChIKey of 2-N-(2,3-dichloro-1H-indol-5-yl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]-6-N,6-N-dipropylpyridine-2,6-diamine?
The InChIKey is OWBOECPUDFYORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36Cl2N6O/c1-4-8-34(9-5-2)24-18-20(35-15-14-33-12-10-32(3)11-13-33)17-23(31-24)29-19-6-7-22-21(16-19)25(27)26(28)30-22/h6-7,16-18,30H,4-5,8-15H2,1-3H3,(H,29,31).
What are the key properties of 2-N-(2,3-dichloro-1H-indol-5-yl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]-6-N,6-N-dipropylpyridine-2,6-diamine?
2-N-(2,3-dichloro-1H-indol-5-yl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]-6-N,6-N-dipropylpyridine-2,6-diamine has a molecular weight of 519.52 g/mol, XLogP of 5.87, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dichloro-1H-indol-5-yl)-4-[2-(4-methylpiperazin-1-yl)ethoxy]-6-N,6-N-dipropylpyridine-2,6-diamine is sourced from PubChem (CID 71166483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).